| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2009 | 10 | Yes |
Popular Name: 5-Fluoro-2-hydroxybenzonitrile 5-Fluoro-2-hydroxybenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 91407-41-9 , [91407-41-9]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.77 | 2.14 | -6.66 | 1 | 2 | 0 | 44 | 137.113 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 2.9 | -35.25 | 0 | 2 | -1 | 47 | 136.105 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 121-126° | Oakwood Chemical |
| Purity | 95% | Fluorochem |
| Purity | 98% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
